1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

C19H23F5N6O2 — CID 118091622

About 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 118091622) has the molecular formula C19H23F5N6O2 and a molecular weight of 462.42 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

• Compound Name: 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
• PubChem CID: 118091622
• Molecular Formula: C19H23F5N6O2
• Molecular Weight: 462.42 g/mol
• Exact Mass: 462.18
• IUPAC Name: 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
• SMILES: CC1COCCN1c1cc(=O)n2c(n1)N(Cc1ccnn1C(F)F)C(C)(C(F)(F)F)CC2
• InChI: InChI=1S/C19H23F5N6O2/c1-12-11-32-8-7-27(12)14-9-15(31)28-6-4-18(2,19(22,23)24)29(17(28)26-14)10-13-3-5-25-30(13)16(20)21/h3,5,9,12,16H,4,6-8,10-11H2,1-2H3
• InChIKey: XKUNKSDBSKVYRR-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 68.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?

The IUPAC name of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (CID 118091622) is 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

What is the SMILES notation for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?

The canonical SMILES for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is CC1COCCN1c1cc(=O)n2c(n1)N(Cc1ccnn1C(F)F)C(C)(C(F)(F)F)CC2.

What is the InChIKey of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?

The InChIKey is XKUNKSDBSKVYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F5N6O2/c1-12-11-32-8-7-27(12)14-9-15(31)28-6-4-18(2,19(22,23)24)29(17(28)26-14)10-13-3-5-25-30(13)16(20)21/h3,5,9,12,16H,4,6-8,10-11H2,1-2H3.

What are the key properties of 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?

1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 462.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 118091622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).